N-cycloheptyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 674527
• Molecular Formular: C23H30N4O2
• Molecular Mass: 394.5099
• Monoisotopic Mass: 394.23687622
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(NC2CCCCCC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)NC1CCCCCC1)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C23H30N4O2/c28-23(27-14-11-20(12-15-27)29-21-8-5-13-24-17-21)18-9-10-22(25-16-18)26-19-6-3-1-2-4-7-19/h5,8-10,13,16-17,19-20H,1-4,6-7,11-12,14-15H2,(H,25,26)
• InChIKey: OXZZSXNLNPUILU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-cycloheptyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N-cycloheptyl-5-{[4-(3-pyridinyloxy)-1-piperidinyl]carbonyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.610679
• LogD (pH = 7.4): 2.7964725
• Log P: 2.7991796
• Molar Refractivity: 114.7227 cm^3
• Polarizability: 43.417107 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.59
• LOG S: -5.8
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5